- InChI
- InChI=1S/C3H5NO/c4-2-1-3-5/h5H,1,3H2
- InChI Key
- WSGYTJNNHPZFKR-UHFFFAOYSA-N
- Formula
- C3H5NO
- SMILES
- N#CCCO
- Molecular Weight1
- 71.08
- CAS
- 109-78-4
- Other Names
-
- 1-Cyano-2-hydroxyethane
- 2-Cyano-1-ethanol
- 2-Cyanoethanol
- 2-Cyanoethyl alcohol
- 2-Hydroxycyanoethane
- 2-Hydroxyethyl cyanide
- 2-Hydroxyethylkyanid
- 3-Hydroxyacrylonitrile
- 3-Hydroxypropanenitrile
- 3-Hydroxypropionitrile
- 3-hydroxypropiononitrile
- Ethylene cyanohydrin
- Glycol cyanohydrin
- Hydracrylonitrile
- Hydroxypropanenitrile
- Methanolacetonitrile
- NSC 2598
- Propionitrile, 3-hydroxy-
- USAF RH-7
- beta-Hpn
- beta-Hpn3
- «beta»-Cyanoethanol
- «beta»-Hydroxypropionitrile
- «beta»-Cyanoethanol
- «beta»-Hydroxypropionitrile
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -29.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -92.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.30 ± 0.50 | kJ/mol | NIST |
| log10WS | -0.21 | Crippen Calculated Property | |
| logPoct/wat | -0.108 | Crippen Calculated Property | |
| McVol | 60.380 | ml/mol | McGowan Calculated Property |
| Pc | 4829.24 | kPa | Joback Calculated Property |
| Tboil | [501.20; 502.85] | K |
|
| Tboil | 501.20 | K | NIST |
| Tboil | 502.85 | K | NIST |
| Tc | 647.69 | K | Joback Calculated Property |
| Tfus | 226.95 | K | NIST |
| Vc | 0.248 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [114.64; 138.68] | J/mol×K | [462.30; 647.69] |
|
| Cp,gas | 114.64 | J/mol×K | 462.30 | Joback Calculated Property |
| Cp,gas | 119.10 | J/mol×K | 493.20 | Joback Calculated Property |
| Cp,gas | 123.36 | J/mol×K | 524.10 | Joback Calculated Property |
| Cp,gas | 127.45 | J/mol×K | 555.00 | Joback Calculated Property |
| Cp,gas | 131.36 | J/mol×K | 585.89 | Joback Calculated Property |
| Cp,gas | 135.10 | J/mol×K | 616.79 | Joback Calculated Property |
| Cp,gas | 138.68 | J/mol×K | 647.69 | Joback Calculated Property |
| ΔvapH | 53.40 | kJ/mol | 412.50 | NIST |
| Pvap | [0.02; 0.58] | kPa | [306.30; 361.80] |
|
| Pvap | 0.02 | kPa | 306.30 | Experim... |
| Pvap | 0.02 | kPa | 311.30 | Experim... |
| Pvap | 0.03 | kPa | 314.30 | Experim... |
| Pvap | 0.04 | kPa | 317.30 | Experim... |
| Pvap | 0.04 | kPa | 318.60 | Experim... |
| Pvap | 0.05 | kPa | 321.40 | Experim... |
| Pvap | 0.05 | kPa | 321.70 | Experim... |
| Pvap | 0.05 | kPa | 323.30 | Experim... |
| Pvap | 0.06 | kPa | 325.40 | Experim... |
| Pvap | 0.06 | kPa | 326.30 | Experim... |
| Pvap | 0.08 | kPa | 328.60 | Experim... |
| Pvap | 0.09 | kPa | 331.40 | Experim... |
| Pvap | 0.09 | kPa | 331.40 | Experim... |
| Pvap | 0.11 | kPa | 333.40 | Experim... |
| Pvap | 0.13 | kPa | 336.30 | Experim... |
| Pvap | 0.12 | kPa | 336.40 | Experim... |
| Pvap | 0.14 | kPa | 338.50 | Experim... |
| Pvap | 0.16 | kPa | 340.40 | Experim... |
| Pvap | 0.18 | kPa | 341.50 | Experim... |
| Pvap | 0.20 | kPa | 343.40 | Experim... |
| Pvap | 0.26 | kPa | 346.60 | Experim... |
| Pvap | 0.34 | kPa | 351.70 | Experim... |
| Pvap | 0.44 | kPa | 356.80 | Experim... |
| Pvap | 0.58 | kPa | 361.80 | Experim... |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 380.00 ± 1.00 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [372.91; 529.91] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.79216e+01 | |||
| Coefficient B | -6.94952e+03 | |||
| Coefficient C | 2.11910e+01 | |||
| Temperature range, min. | 372.91 | |||
| Temperature range, max. | 529.91 | |||
| Pvap | 1.33 | kPa | 372.91 | Calculated Property |
| Pvap | 2.82 | kPa | 390.35 | Calculated Property |
| Pvap | 5.60 | kPa | 407.80 | Calculated Property |
| Pvap | 10.54 | kPa | 425.24 | Calculated Property |
| Pvap | 18.92 | kPa | 442.69 | Calculated Property |
| Pvap | 32.57 | kPa | 460.13 | Calculated Property |
| Pvap | 53.96 | kPa | 477.58 | Calculated Property |
| Pvap | 86.41 | kPa | 495.02 | Calculated Property |
| Pvap | 134.18 | kPa | 512.47 | Calculated Property |
| Pvap | 202.63 | kPa | 529.91 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanenitrile, 3-hydroxy-.
Sources
- Crippen Method
- Crippen Method
- Experimental and computational thermochemical study of 3-hydroxypropanenitrile
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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